Inorganic Solid Phases

Na2Ca(Mn4Mg2Fe)[PO4]6 (Na2CaMg2Mn4Fe[PO4]6) Crystal Structure

General Information

  • Phase Label(s): Na2CaMg2Mn4Fe[PO4]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fillowite
  • Pearson Symbol: hR720
  • Space Group: 148
  • Phase Prototype: Na2CaMn6(Mn0.33Fe0.67)[PO4]6
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Rigaku AFC6 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, 4823 reflections; I > 2σ(I), R = 0.0776; wR = 0.1924
  • Sample Detail(s): fillowite sample from China, Xinjiang Autonomeous Region, Altay area, chemical analysis; composition determined as (Na1.81K0.01Li0.07)Ca1.06(Mn4.04Mg1.82Fe0.89Zn0.16Al0.03)[PO4]6, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2CaMg2Mn4Fe[PO4]6
  • Alphabetic Formula: CaFeMg2Mn4Na2[PO4]6
  • Published Formula: Na2Ca(Mn4Mg2Fe)[PO4]6
  • Refined Formula: CaFeMgMn5.33Na1.67O24P6
  • Wyckoff Sequence: 148,f38c5ba
  • Z Formula Units: 18
  • Density: ρ = 3.42 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1710935

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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